CID 135705460

1-(hex-5'-yn-1'-yl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C11H16N3O
SMILES
C[N+]1=C(N(C=C1)CCCCC#C)/C=N/O
InChI
InChI=1S/C11H15N3O/c1-3-4-5-6-7-14-9-8-13(2)11(14)10-12-15/h1,8-10H,4-7H2,2H3/p+1
InChIKey
VRSUPYLJJFTWLE-UHFFFAOYSA-O
Compound name
(NE)-N-[(1-hex-5-ynyl-3-methylimidazol-3-ium-2-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.12933 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13661 145.3
[M+Na]+ 229.11855 157.4
[M+NH4]+ 224.16315 149.3
[M+K]+ 245.09249 150.4
[M-H]- 205.12205 139.0
[M+Na-2H]- 227.10400 147.6
[M]+ 206.12878 144.5
[M]- 206.12988 144.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.